benzylidene-(2-hydroxyiminoethylideneamino)sulfanium

C9H9N2OS+ — CID 172861093

IUPACbenzylidene-(2-hydroxyiminoethylideneamino)sulfanium
SMILESON=CC=N/[S+]=C/c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-10-6-7-11-13-8-9-4-2-1-3-5-9/h1-8H/p+1
InChIKeyZJBPOHWOVYWVBW-UHFFFAOYSA-O
MW193.25 g/mol
LogP1.37
Rot. Bonds3

About benzylidene-(2-hydroxyiminoethylideneamino)sulfanium

benzylidene-(2-hydroxyiminoethylideneamino)sulfanium (PubChem CID 172861093) has the molecular formula C9H9N2OS+ and a molecular weight of 193.25 g/mol. Its IUPAC name is benzylidene-(2-hydroxyiminoethylideneamino)sulfanium.

Molecular Properties

Compound Namebenzylidene-(2-hydroxyiminoethylideneamino)sulfanium
PubChem CID172861093
Molecular FormulaC9H9N2OS+
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Namebenzylidene-(2-hydroxyiminoethylideneamino)sulfanium
SMILESON=CC=N/[S+]=C/c1ccccc1
InChIInChI=1S/C9H8N2OS/c12-10-6-7-11-13-8-9-4-2-1-3-5-9/h1-8H/p+1
InChIKeyZJBPOHWOVYWVBW-UHFFFAOYSA-O
XLogP1.37
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135796571
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium
CID 135031659
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914
(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
CID 73010452
1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
CID 170551705
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
(benzylideneamino)-oxosulfanium
CID 172739102
N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine
CID 173419384

Frequently Asked Questions

What is the IUPAC name of benzylidene-(2-hydroxyiminoethylideneamino)sulfanium?
The IUPAC name of benzylidene-(2-hydroxyiminoethylideneamino)sulfanium (CID 172861093) is benzylidene-(2-hydroxyiminoethylideneamino)sulfanium.
What is the SMILES notation for benzylidene-(2-hydroxyiminoethylideneamino)sulfanium?
The canonical SMILES for benzylidene-(2-hydroxyiminoethylideneamino)sulfanium is ON=CC=N/[S+]=C/c1ccccc1.
What is the InChIKey of benzylidene-(2-hydroxyiminoethylideneamino)sulfanium?
The InChIKey is ZJBPOHWOVYWVBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2OS/c12-10-6-7-11-13-8-9-4-2-1-3-5-9/h1-8H/p+1.
What are the key properties of benzylidene-(2-hydroxyiminoethylideneamino)sulfanium?
benzylidene-(2-hydroxyiminoethylideneamino)sulfanium has a molecular weight of 193.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-(2-hydroxyiminoethylideneamino)sulfanium is sourced from PubChem (CID 172861093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).